Geometry & MOs

Info

ID:	298425
PubChem CID:	117649416
Reduced:	N3H39C52 (1)
Stoich.:	A3B39C52 (1)
Weight, g/mol:	829.345698
ΔH_f, kcal/mol:	199.9
Dipole, Da:	2.73
IP(EA), eV:	-7.95(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzyl-6-[6-benzyl-9-(4-carbazol-9-ylphenyl)carbazol-3-yl]-9-phenylcarbazole

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC5=C(C=C4)N(C6=CC=CC=C65)C7=CC=C(C=C7)N8C9=CC=CC=C9C1=CC=CC=C18)C1=CC=CC=C12

DOS

IR

Vibrations